AG006H4X

6881-49-8 | 2H-Thiopyran-3,5(4H,6H)-dione

AG006H4X

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CAS Number	6881-49-8
Catalog Number	AG006H4X(AGN-PC-0JM435)
Chemical Name	2H-Thiopyran-3,5(4H,6H)-dione
IUPAC Name	thiane-3,5-dione
InChI	InChI=1S/C5H6O2S/c6-4-1-5(7)3-8-2-4/h1-3H2
InChI Key	VDHPFHUCOPGRLS-UHFFFAOYSA-N
MDL Number	MFCD06651188
Molecular Formula	C5H6O2S
Molecular Weight	130.1649
NSC Number	293807
SMILES	O=C1CSCC(=O)C1
Synonyms	2H-Thiopyran-3,5(4H,6H)-dione, 6881-49-8, thiane-3,5-dione, 3,5-thiopyrandione, NSC293807, thiopyran-3,5-dione, AC1L6VX1, 3,5-dioxotetrahydrothiopyran, C5H6O2S, tetrahydrothiopyran-3,5-dione, SCHEMBL2547201, CTK5C8490, KS-00000HXP, DTXSID10315278, VDHPFHUCOPGRLS-UHFFFAOYSA-N, QC-44, ZINC5385876, ANW-45562, MFCD06651188, 2H-thiopyran-3,5-(4H,6H)-dione, AKOS002235092, MCULE-7749510849, NSC-293807, PB15832, RP19918, RP19919, AJ-53954, BR-32471, SC-21904, AB0026253, DB-074074, ST2410217, TC-070265, A9141, CS-0047856, FT-0660504, ST50109436, W7877, S-6647, J-509570, F1716-0400, Z1416203575, CID325286, ACN-043569, 2-(6-chloro-1H-benzimidazol-2-yl)ethanamine,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.009g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.161g/mol
Monoisotopic Mass	130.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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